N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-pyrazol-1-yl-benzamide

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-pyrazol-1-yl-benzamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-pyrazol-1-yl-benzamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-4-(1-pyrazolyl)benzamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-4-pyrazol-1-ylbenzamide Traditional Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-pyrazol-1-yl-benzamide Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=CC=C(C=C2)N3C=CC=N3)[NH+]4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=CC=C(C=C2)N3C=CC=N3)[NH+]4CCCC4

InChI

InChI=1S/C23H26N4O2/c1-29-21-11-7-18(8-12-21)22(26-14-2-3-15-26)17-24-23(28)19-5-9-20(10-6-19)27-16-4-13-25-27/h4-13,16,22H,2-3,14-15,17H2,1H3,(H,24,28)/p+1/t22-/m0/s1